CID 10826462

310462-67-0

Structural Information

Molecular Formula
C17H14N2S
SMILES
CN(C)C1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4S2
InChI
InChI=1S/C17H14N2S/c1-19(2)16-11-7-3-5-9-13(11)18-15-12-8-4-6-10-14(12)20-17(15)16/h3-10H,1-2H3
InChIKey
KKPFCCXFGNPMHZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-[1]benzothiolo[3,2-b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08777 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09505 160.0
[M+Na]+ 301.07699 172.8
[M-H]- 277.08049 167.9
[M+NH4]+ 296.12159 181.4
[M+K]+ 317.05093 167.2
[M+H-H2O]+ 261.08503 153.2
[M+HCOO]- 323.08597 180.3
[M+CH3COO]- 337.10162 174.0
[M+Na-2H]- 299.06244 167.5
[M]+ 278.08722 167.6
[M]- 278.08832 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.